2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine

C14H18F3N — CID 117272244

IUPAC2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1(C)CCC(C)(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C14H18F3N/c1-12(2)7-8-13(3,18-12)10-5-4-6-11(9-10)14(15,16)17/h4-6,9,18H,7-8H2,1-3H3
InChIKeyBZFMXLXYOZAKGB-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.08
Rot. Bonds1

About 2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine

2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 117272244) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID117272244
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1(C)CCC(C)(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C14H18F3N/c1-12(2)7-8-13(3,18-12)10-5-4-6-11(9-10)14(15,16)17/h4-6,9,18H,7-8H2,1-3H3
InChIKeyBZFMXLXYOZAKGB-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine (CID 117272244) is 2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine is CC1(C)CCC(C)(c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is BZFMXLXYOZAKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-12(2)7-8-13(3,18-12)10-5-4-6-11(9-10)14(15,16)17/h4-6,9,18H,7-8H2,1-3H3.
What are the key properties of 2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine?
2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-5-[3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117272244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).